SCHEMBL28601887

SCHEMBL28601887

OC(COc1cc[c]cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8590102 0.82 MAPK1 (0.33) CETP
SCHEMBL8590105 0.82 MAPK1 (0.33) CETP
SCHEMBL10785452 0.78 LMNA (0.42) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL24352244 0.78 USP2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24353025 0.78 PSEN1 (0.40) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL6527647 0.78 APP (0.45) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL24352245 0.75 KMT2A (0.49) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL24352861 0.75 KMT2A (0.49) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL21910786 0.75 CETP (0.41) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL10204660 0.75 ALDH1A1 (0.44) CETPPSEN1PSEN2APH1BNCSTN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 CN disclosed